(3Z)-2-amino-4-quinolin-4-ylbuta-1,3-diene-1,1,3-tricarbonitrile

Formula:C16H9N5 Mutagenic:none Tumorigenic:high Reproductive Effective:none (3Z)-2-amino-4-quinolin-4-ylbuta-1,3-diene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3Z)-2-amino-4-quinolin-4-ylbuta-1,3-diene-1,1,3-tricarbonitrile
MolecularFormula	C16H9N5
Smiles	NC(/C(/C#N)=C/c1ccnc2ccccc12)=C(C#N)C#N
InChI	InChI=1S/C16H9N5/c17-8-12(16(20)13(9-18)10-19)7-11-5-6-21-15-4-2-1-3-14(11)15/h1-7H,20H2
InChIK	WUHQDOPBKHBJIG-UHFFFAOYSA-N
TotalMolweight	271.282
Molweight	271.282
MonoisotopicMass	271.085795
CLogP	2.1079
CLogS	-4.241
H Acceptors	5
H Donors	1
TotalSurfaceArea	227.9
Relative PSA	0.29364
PolarSurfaceArea	110.28
Druglikeness	-9.1345
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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